5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene

C15H14Cl2 — CID 164674787

IUPAC5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
SMILESCC1(C)Cc2cc3c(Cl)ccc(Cl)c3cc2C1
InChIInChI=1S/C15H14Cl2/c1-15(2)7-9-5-11-12(6-10(9)8-15)14(17)4-3-13(11)16/h3-6H,7-8H2,1-2H3
InChIKeyZYSAKDUOQVZFTA-UHFFFAOYSA-N
MW265.18 g/mol
LogP5.27
Rot. Bonds

About 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene

5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene (PubChem CID 164674787) has the molecular formula C15H14Cl2 and a molecular weight of 265.18 g/mol. Its IUPAC name is 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene.

Molecular Properties

Compound Name5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
PubChem CID164674787
Molecular FormulaC15H14Cl2
Molecular Weight265.18 g/mol
Exact Mass264.05
IUPAC Name5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene
SMILESCC1(C)Cc2cc3c(Cl)ccc(Cl)c3cc2C1
InChIInChI=1S/C15H14Cl2/c1-15(2)7-9-5-11-12(6-10(9)8-15)14(17)4-3-13(11)16/h3-6H,7-8H2,1-2H3
InChIKeyZYSAKDUOQVZFTA-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.18
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The IUPAC name of 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene (CID 164674787) is 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene.
What is the SMILES notation for 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The canonical SMILES for 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene is CC1(C)Cc2cc3c(Cl)ccc(Cl)c3cc2C1.
What is the InChIKey of 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
The InChIKey is ZYSAKDUOQVZFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2/c1-15(2)7-9-5-11-12(6-10(9)8-15)14(17)4-3-13(11)16/h3-6H,7-8H2,1-2H3.
What are the key properties of 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene?
5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene has a molecular weight of 265.18 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2,2-dimethyl-1,3-dihydrocyclopenta[b]naphthalene is sourced from PubChem (CID 164674787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).